2-(4-chlorophenyl)-4-methyl-N-(1-thiophen-2-ylethyl)-1,3-thiazole-5-carboxamide

C17H15ClN2OS2 — CID 24515088

IUPAC2-(4-chlorophenyl)-4-methyl-N-(1-thiophen-2-ylethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccc(Cl)cc2)sc1C(=O)NC(C)c1cccs1
InChIInChI=1S/C17H15ClN2OS2/c1-10(14-4-3-9-22-14)19-16(21)15-11(2)20-17(23-15)12-5-7-13(18)8-6-12/h3-10H,1-2H3,(H,19,21)
InChIKeyVXKMNBVBUVURHL-UHFFFAOYSA-N
MW362.91 g/mol
LogP5.32
Rot. Bonds4

About 2-(4-chlorophenyl)-4-methyl-N-(1-thiophen-2-ylethyl)-1,3-thiazole-5-carboxamide

2-(4-chlorophenyl)-4-methyl-N-(1-thiophen-2-ylethyl)-1,3-thiazole-5-carboxamide (PubChem CID 24515088) has the molecular formula C17H15ClN2OS2 and a molecular weight of 362.91 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-methyl-N-(1-thiophen-2-ylethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-methyl-N-(1-thiophen-2-ylethyl)-1,3-thiazole-5-carboxamide
PubChem CID24515088
Molecular FormulaC17H15ClN2OS2
Molecular Weight362.91 g/mol
Exact Mass362.03
IUPAC Name2-(4-chlorophenyl)-4-methyl-N-(1-thiophen-2-ylethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccc(Cl)cc2)sc1C(=O)NC(C)c1cccs1
InChIInChI=1S/C17H15ClN2OS2/c1-10(14-4-3-9-22-14)19-16(21)15-11(2)20-17(23-15)12-5-7-13(18)8-6-12/h3-10H,1-2H3,(H,19,21)
InChIKeyVXKMNBVBUVURHL-UHFFFAOYSA-N
XLogP5.32
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.91
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 7742310
4-methyl-2-phenyl-N-[(1R)-1-phenylethyl]-1,3-thiazole-5-carboxamide
CID 9123977
4-methyl-2-phenyl-N-[(1S)-1-pyridin-4-ylethyl]-1,3-thiazole-5-carboxamide
CID 39966458
methyl 3-[[2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-3-thiophen-2-ylpropanoate
CID 46515237
N-[(1R)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 124735038
2-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 56919999
2-(4-chlorophenyl)-N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 56580806
2-(4-chlorophenyl)-N,4-dimethyl-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 39996104
2-[(4-ethylphenoxy)methyl]-4-methyl-N-[(1S)-1-thiophen-2-ylethyl]-1,3-thiazole-5-carboxamide
CID 93480458
2-chloro-N-(1-thiophen-2-ylethyl)benzamide
CID 42907549
2-(4-chlorophenyl)-4-methyl-N-[3-(methylamino)propyl]-1,3-thiazole-5-carboxamide
CID 119432753
3-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]propanoic acid
CID 29134816

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-methyl-N-(1-thiophen-2-ylethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-4-methyl-N-(1-thiophen-2-ylethyl)-1,3-thiazole-5-carboxamide (CID 24515088) is 2-(4-chlorophenyl)-4-methyl-N-(1-thiophen-2-ylethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-4-methyl-N-(1-thiophen-2-ylethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-4-methyl-N-(1-thiophen-2-ylethyl)-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NC(C)c1cccs1.
What is the InChIKey of 2-(4-chlorophenyl)-4-methyl-N-(1-thiophen-2-ylethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is VXKMNBVBUVURHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2OS2/c1-10(14-4-3-9-22-14)19-16(21)15-11(2)20-17(23-15)12-5-7-13(18)8-6-12/h3-10H,1-2H3,(H,19,21).
What are the key properties of 2-(4-chlorophenyl)-4-methyl-N-(1-thiophen-2-ylethyl)-1,3-thiazole-5-carboxamide?
2-(4-chlorophenyl)-4-methyl-N-(1-thiophen-2-ylethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 362.91 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-methyl-N-(1-thiophen-2-ylethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 24515088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).